CID 70568

1-benzyl-4-(isopropylamino)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C16H23N3
SMILES
CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C16H23N3/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,18H,8-12H2,1-2H3
InChIKey
AFWVUHFFBULMAW-UHFFFAOYSA-N
Compound name
1-benzyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

257.1892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 162.9
[M+Na]+ 280.178418 169.3
[M-H]- 256.181924 166.0
[M+NH4]+ 275.223023 177.8
[M+K]+ 296.152358 163.6
[M+H-H2O]+ 240.186460 148.4
[M+HCOO]- 302.187401 177.8
[M+CH3COO]- 316.203051 209.6
[M+Na-2H]- 278.163866 166.1
[M]+ 257.18865142 153.5
[M]- 257.18974858 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe